2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride

C24H34ClNO2 — CID 18980478

IUPAC2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1cccc(C2(O)CCC(Cc3ccc(C)cc3)CC2CN(C)C)c1.Cl
InChIInChI=1S/C24H33NO2.ClH/c1-18-8-10-19(11-9-18)14-20-12-13-24(26,22(15-20)17-25(2)3)21-6-5-7-23(16-21)27-4;/h5-11,16,20,22,26H,12-15,17H2,1-4H3;1H
InChIKeyFLRCIEMVCZAEAS-UHFFFAOYSA-N
MW403.99 g/mol
LogP4.83
Rot. Bonds6

About 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride

2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 18980478) has the molecular formula C24H34ClNO2 and a molecular weight of 403.99 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
PubChem CID18980478
Molecular FormulaC24H34ClNO2
Molecular Weight403.99 g/mol
Exact Mass403.23
IUPAC Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCOc1cccc(C2(O)CCC(Cc3ccc(C)cc3)CC2CN(C)C)c1.Cl
InChIInChI=1S/C24H33NO2.ClH/c1-18-8-10-19(11-9-18)14-20-12-13-24(26,22(15-20)17-25(2)3)21-6-5-7-23(16-21)27-4;/h5-11,16,20,22,26H,12-15,17H2,1-4H3;1H
InChIKeyFLRCIEMVCZAEAS-UHFFFAOYSA-N
XLogP4.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.99
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride with MolForge

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Related Compounds

2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
CID 140978350
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105696
1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105737
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
4-benzylsulfonyl-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 156703355
1-benzyl-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105795
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] cyclopentanecarboxylate
CID 69135557
(1S,2S,5S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-5-methylcyclohexan-1-ol;hydrochloride
CID 70216938
4-(2-cyclopentylethyl)-2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol
CID 67642002
1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 23105735
(3R,4S)-3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol;hydrochloride
CID 3088837

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride (CID 18980478) is 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride is COc1cccc(C2(O)CCC(Cc3ccc(C)cc3)CC2CN(C)C)c1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is FLRCIEMVCZAEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2.ClH/c1-18-8-10-19(11-9-18)14-20-12-13-24(26,22(15-20)17-25(2)3)21-6-5-7-23(16-21)27-4;/h5-11,16,20,22,26H,12-15,17H2,1-4H3;1H.
What are the key properties of 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride?
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 403.99 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 18980478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).